(2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]thiophene

C12H16S — CID 130278923

IUPAC(2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]thiophene
SMILESC/C=C\c1sc(=C/C)/c(=C\C)c1C
InChIInChI=1S/C12H16S/c1-5-8-12-9(4)10(6-2)11(7-3)13-12/h5-8H,1-4H3/b8-5-,10-6-,11-7+
InChIKeyUQWDKZXEBJTSAP-OHCOKWNNSA-N
MW192.33 g/mol
LogP2.69
Rot. Bonds1

About (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]thiophene

(2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]thiophene (PubChem CID 130278923) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]thiophene.

Molecular Properties

Compound Name(2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]thiophene
PubChem CID130278923
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name(2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]thiophene
SMILESC/C=C\c1sc(=C/C)/c(=C\C)c1C
InChIInChI=1S/C12H16S/c1-5-8-12-9(4)10(6-2)11(7-3)13-12/h5-8H,1-4H3/b8-5-,10-6-,11-7+
InChIKeyUQWDKZXEBJTSAP-OHCOKWNNSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]thiophene?
The IUPAC name of (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]thiophene (CID 130278923) is (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]thiophene.
What is the SMILES notation for (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]thiophene?
The canonical SMILES for (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]thiophene is C/C=C\c1sc(=C/C)/c(=C\C)c1C.
What is the InChIKey of (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]thiophene?
The InChIKey is UQWDKZXEBJTSAP-OHCOKWNNSA-N. The full InChI is InChI=1S/C12H16S/c1-5-8-12-9(4)10(6-2)11(7-3)13-12/h5-8H,1-4H3/b8-5-,10-6-,11-7+.
What are the key properties of (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]thiophene?
(2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]thiophene has a molecular weight of 192.33 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]thiophene is sourced from PubChem (CID 130278923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).